SCHEMBL2750693

SCHEMBL2750693

Cc1ccc(-c2c[c]cs2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.33
HSD17B2 P37059 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
MCL1 Q07820 1/20 0.33
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
ALOX12 P18054 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NOTUM Q6P988 1/20 0.31
USP2 O75604 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2237075 0.78 ACHE (0.35) HSD17B1HSD17B2ALDH1A1LMNAALOX12
SCHEMBL2753722 0.74 HSD17B1 (0.32) HSD17B1HSD17B2
SCHEMBL2752805 0.73 METAP2 (0.33)
SCHEMBL2753192 0.73 HSD17B1 (0.41) HSD17B1HSD17B2CYP3A4CYP2D6CYP2C19
SCHEMBL2751756 0.72 MEN1 (0.36) ALDH1A1LMNAMAPTMEN1KMT2A
Water SCHEMBL9222873 0.71 ALDH1A1 (0.52) CYP3A4MCL1ALPLALDH1A1LMNA
SCHEMBL2751817 0.70 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1
SCHEMBL577235 0.69 CYP1A2 (0.36) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL27702426 0.69 RAB9A (0.36) LMNAMAPTMEN1KMT2ANOTUM
SCHEMBL29702110 0.68 ALDH1A1 (0.55) CYP3A4MCL1ALPLALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 HSD17B1 4545/4885HSD17B2 4429/4885CYP3A4 1785/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 HSD17B1 3589/4885HSD17B2 3363/4885CYP3A4 131/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.